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	hartrees
Energy at 0K	-7486.590199
Energy at 298.15K
HF Energy	-7486.590199
Nuclear repulsion energy	409.815703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3191	3024	1.97	81.03	0.29	0.44
2	A	1347	1277	8.32	7.42	0.75	0.86
3	A	1253	1187	82.87	7.32	0.43	0.60
4	A	1096	1039	118.48	3.06	0.64	0.78
5	A	734	696	193.11	6.87	0.75	0.86
6	A	607	575	33.19	17.27	0.16	0.28
7	A	392	372	0.97	4.87	0.30	0.47
8	A	264	250	0.46	4.40	0.44	0.61
9	A	195	185	0.11	5.73	0.47	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.996	0.481	0.430
H2	1.079	0.596	1.507
F3	1.293	1.670	-0.213
Cl4	2.167	-0.775	-0.073
I5	-1.048	-0.101	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0865	1.3840	1.7892	2.1717
H2	1.0865		2.0389	2.3581	2.7081
F3	1.3840	2.0389		2.6006	2.9420
Cl4	1.7892	2.3581	2.6006		3.2847
I5	2.1717	2.7081	2.9420	3.2847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.661	H2	C1	Cl4	107.652
H2	C1	I5	107.730	F3	C1	Cl4	109.419
F3	C1	I5	109.668	Cl4	C1	I5	111.687

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: wB97X-D/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.154
2	H	0.298
3	F	-0.262
4	Cl	0.014
5	I	0.104

	x	y	z	Total
	-0.580	-0.138	1.344	1.470
CHELPG
AIM
ESP

	x	y	z
x	9.494	-0.377	0.122
y	-0.377	5.894	0.261
z	0.122	0.261	4.961

<r²>	233.916
(<r²>)^1/2	15.294